N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide

C26H50N2O9 — CID 66638722

IUPACN-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide
SMILESCO[C@]1(C)C(C)(CO)O[C@@](C)(O[C@@]2(C)C(C)(O)C(C)(NC(C)=O)C(C)(C)O[C@@]2(C)CO)[C@@](C)(N)C1(C)O
InChIInChI=1S/C26H50N2O9/c1-16(31)28-21(7)17(2,3)35-19(5,15-30)25(11,23(21,9)33)37-26(12)20(6,27)22(8,32)24(10,34-13)18(4,14-29)36-26/h29-30,32-33H,14-15,27H2,1-13H3,(H,28,31)/t18?,19-,20-,21?,22?,23?,24+,25+,26-/m0/s1
InChIKeyWBJHFCJLTUDLNL-TUKHSMKMSA-N
MW534.69 g/mol
LogP0.34
Rot. Bonds6

About N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide

N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide (PubChem CID 66638722) has the molecular formula C26H50N2O9 and a molecular weight of 534.69 g/mol. Its IUPAC name is N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide
PubChem CID66638722
Molecular FormulaC26H50N2O9
Molecular Weight534.69 g/mol
Exact Mass534.35
IUPAC NameN-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide
SMILESCO[C@]1(C)C(C)(CO)O[C@@](C)(O[C@@]2(C)C(C)(O)C(C)(NC(C)=O)C(C)(C)O[C@@]2(C)CO)[C@@](C)(N)C1(C)O
InChIInChI=1S/C26H50N2O9/c1-16(31)28-21(7)17(2,3)35-19(5,15-30)25(11,23(21,9)33)37-26(12)20(6,27)22(8,32)24(10,34-13)18(4,14-29)36-26/h29-30,32-33H,14-15,27H2,1-13H3,(H,28,31)/t18?,19-,20-,21?,22?,23?,24+,25+,26-/m0/s1
InChIKeyWBJHFCJLTUDLNL-TUKHSMKMSA-N
XLogP0.34
TPSA172.96 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 50.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide?
The IUPAC name of N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide (CID 66638722) is N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide?
The canonical SMILES for N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide is CO[C@]1(C)C(C)(CO)O[C@@](C)(O[C@@]2(C)C(C)(O)C(C)(NC(C)=O)C(C)(C)O[C@@]2(C)CO)[C@@](C)(N)C1(C)O.
What is the InChIKey of N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide?
The InChIKey is WBJHFCJLTUDLNL-TUKHSMKMSA-N. The full InChI is InChI=1S/C26H50N2O9/c1-16(31)28-21(7)17(2,3)35-19(5,15-30)25(11,23(21,9)33)37-26(12)20(6,27)22(8,32)24(10,34-13)18(4,14-29)36-26/h29-30,32-33H,14-15,27H2,1-13H3,(H,28,31)/t18?,19-,20-,21?,22?,23?,24+,25+,26-/m0/s1.
What are the key properties of N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide?
N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide has a molecular weight of 534.69 g/mol, XLogP of 0.34, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,6S)-5-[(2S,3S,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2,3,4,5,6-pentamethyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2,2,3,4,5,6-hexamethyloxan-3-yl]acetamide is sourced from PubChem (CID 66638722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).